ピーク情報

（くり類）日本ぐり生

pos

Peak #3400 MN MID: SE123_S050101_M90

m/z: 529.26440, RT: 45.35, 強度: 467026, ログ強度: 2.25, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 10

DB検索結果: (7 names) Parvifoliside;Taxuyunnanine N;(-)-Taxuyunnanine N;Taxuyunnanine Q;Tinosinenside;(-)-Tinosinenside;Coccinin

DBごとのヒット数: ALL 5 KN 5

FlavonoidSearch最大スコア MS2: -, MS3: 0.150

組成式	分子量	誤差(Δppm）	候補化合物名（代表で最短名を記載）	化合物ID
C26H40O11	528.25706	0.118	Parvifoliside	KNApSAcK: C00041078
C26H40O11	528.25706	0.118	Taxuyunnanine N	KNApSAcK: C00046949
C26H40O11	528.25706	0.118	Taxuyunnanine Q	KNApSAcK: C00037892
C26H40O11	528.25706	0.118	Coccinin	HMDB: HMDB0038546 KNApSAcK: C00055504
C26H40O11	528.25706	0.118	Tinosinenside	KNApSAcK: C00040489

MSnスペクトル情報

Level: 2, プリカーサーm/z: 529.26440

Splash: splash10-01pk-0019000000-e6437670e0a0a6a8d4bc

m/z	Int.	NL	Rel.Int.
349.23	66766	180	1000
331.19	45641	198	683
313.25	31190	216	467
285.14	12304	244	184
267.22	11959	262	179
367.20	10584	162	158
511.33	7688	18	115
493.14	5213	36	78

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(3OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	2'-Hydroxychalcone	Neolinderachalcone
0.000	[Flavanone]-A(2OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Flavanone	Neolinderatone

Level: 3, プリカーサーm/z: 349.20532

Splash: splash10-001i-0029000000-d29901675013611f23f1

m/z	Int.	NL	Rel.Int.
331.19	22225	18	1000
313.22	3926	36	176
303.27	2921	46	131
285.24	2846	64	128
287.14	2754	62	123
305.25	2582	44	116
261.14	2422	88	108
195.20	1701	154	76
267.23	1253	82	56

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.231	[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
0.182	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
0.182	[Dihydroflavonol]-A(1OH, 2OMe)-B(2OH)	Dihydroflavonol	Dihydrogossypetin 7,8-dimethyl ether
0.150	[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
0.095	[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
0.095	[Flavonol]-A(4OH)-B(1OH, 1OMe)	Flavonol	3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone
0.077	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
0.071	[Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Tuberostan
0.000	[Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol C
0.000	[Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
0.000	[Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none)	Flavone	trans-Anhydrotephrostachin
0.000	[Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
0.000	[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Dryopteric acid
0.000	[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Calopogoniumisoflavone B
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin E

Level: 3, プリカーサーm/z: 331.25104

Splash: splash10-01p9-0095000000-25468dc597184c47dc69

m/z	Int.	NL	Rel.Int.
285.23	7991	46	1000
313.16	5793	18	725
303.28	3324	28	416
267.08	2572	64	321
257.17	1388	74	173
295.18	1267	36	158
195.02	1000	136	125
239.17	855	92	106
249.16	666	82	83
132.91	492	198	61

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.235	[Chalcone]-A(1OH, 4OMe)-B(none)	Chalcone	Isodidymocarpin
0.188	[Isoflavanone]-A(1OH)-B(3OMe)	Isoflavanone	3'-O-Methylviolanone
0.188	[Isoflavanone]-A(1OMe)-B(1OH, 2OMe)	Isoflavanone	3'-Methoxyisosativanone
0.154	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Podospicatin
0.154	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Iristectorigenin B
0.154	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Iristectorigenin A
0.154	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone
0.154	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone
0.154	[Isoflavone]-A(1OH, 2OMe)-B(2OH)	Isoflavone	6-Methoxyorobol 7-methyl ether
0.154	[Isoflavone]-A(2OH)-B(1OH, 2OMe)	Isoflavone	2'-Hydroxy-5'-methoxybiochanin A
0.133	[Dihydroflavonol]-A(2OMe)-B(1OMe)	Dihydroflavonol	3-Hydroxy-5,7,4'-trimethoxyflavanone
0.130	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Betuletol
0.130	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	3,5,6-Trihydroxy-7,4'-dimethoxyflavone
0.130	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Herbacetin 7,4'-dimethyl ether
0.130	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Prudomestin
0.105	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	5-Hydroxy-6,7,4'-trimethoxyflavanone
0.105	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	7-Hydroxy-5,8,2'-trimethoxyflavanone
0.105	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	5-Hydroxy-7,8,4'-trimethoxyflavanone
0.087	[Anthocyanidin]-A(1OH, 1OMe)-B(2OH, 1OMe)	Anthocyanidin	Europinidin
0.087	[Anthocyanidin]-A(2OH)-B(1OH, 2OMe)	Anthocyanidin	Malvidin
0.083	[Flavonol]-A(2OH, 2OMe)-B(none)	Flavonol	3,5,7-Trihydroxy-6,8-dimethoxyflavone
0.083	[Flavonol]-A(1OH, 2OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 5,6-dimethyl ether
0.083	[Flavonol]-A(1OH, 2OMe)-B(1OH)	Flavonol	Herbacetin 7,8-dimethyl ether
0.083	[Flavonol]-A(1OH)-B(1OH, 2OMe)	Flavonol	Laurentinol
0.083	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	3,5,2'-Trihydroxy-7,5'-dimethoxyflavone
0.083	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 5,3'-dimethyl ether
0.083	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 5,4'-dimethyl ether
0.083	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Rhamnazin
0.083	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Ombuin
0.083	[Flavonol]-A(2OH)-B(2OMe)	Flavonol	Morelosin
0.083	[Flavonol]-A(2OH)-B(2OMe)	Flavonol	Dillenetin
0.067	[Dihydroflavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe)	Dihydroflavonol	7-Hydroxy-3,5,4'-trimethoxyflavanone
0.067	[Pterocarpan]-A(1OH, 2OMe)-B(1OMe)	Pterocarpan	4-Hydroxy-2,3,9-trimethoxypterocarpan
0.067	[Pterocarpan]-A(1OH, 1OMe)-B(2OMe)	Pterocarpan	Melilotocarpan C
0.067	[Pterocarpan]-A(1OH)-B(3OMe)	Pterocarpan	9-O-Methylphilenopteran
0.067	[Pterocarpan]-A(2OMe)-B(1OH, 1OMe)	Pterocarpan	Odoricarpan
0.056	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH)	2'-Hydroxychalcone	4,6'-Dihydroxy-2',3',4'-trimethoxychalcone
0.056	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxy-3',4',6'-trimethoxychalcone
0.056	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1OMe)	2'-Hydroxychalcone	2',4'-Dihydroxy-2,3',6'-trimethoxychalcone
0.056	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe)	2'-Hydroxychalcone	Okanin 3,4,3'-trimethyl ether
0.056	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe)	2'-Hydroxychalcone	Cerasin
0.056	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2'-Dihydroxy-3,4',6'-trimethoxychalcone
0.056	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2'-Dihydroxy-4,4',6'-trimethoxychalcone
0.056	[2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none)	2'-Hydroxychalcone	Pedicin
0.050	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	Isopedicin
0.050	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	5-Hydroxy-6,7,8-trimethoxyflavanone
0.050	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	Kwangsienin A
0.050	[Flavanone]-A(2OMe)-B(1OH, 1OMe)	Flavanone	4'-Hydroxy-5,7,2'-trimethoxyflavanone
0.050	[Flavanone]-A(3OMe)-B(1OH)	Flavanone	4'-Hydroxy-5,6,7-trimethoxyflavanone
0.050	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	5-Hydroxy-7,2',3'-trimethoxyflavanone
0.050	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	Eriodictyol 7,3',4'-trimethyl ether
0.050	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	Cerasinone
0.000	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	6,7,4'-Trihydroxy-3',5'-dimethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavone	5,4',5'-Trihydroxy-6,2'-dimethoxyflavone
0.000	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	Apometzgerin
0.000	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	Tricin
0.000	[Flavone]-A(2OMe)-B(3OH)	Flavone	Isoetin 5,7-dimethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	5,2',6'-Trihydroxy-6,7-dimethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	6-Hydroxyluteolin 5,6-dimethyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Jaceosidin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Desmethoxycentaureidin
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Cirsiliol
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	6-Hydroxyluteolin 7,3'-dimethyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Nuchensin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Tamaridone
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	5,2',3'-Trihydroxy-7,8-dimethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Rehderianin I
0.000	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Viscidulin II
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	5,7,2'-Trihydroxy-8,6'-dimethoxyflavone
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Hypolaetin 7,3'-dimethyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Hypolaetin 8,3'-dimethyl ether
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	5,8,2'-Trihydroxy-6,7-dimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	5,7,2'-trihydroxy-6,8-dimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Isothymusin
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Desmethoxysudachitin
0.000	[Flavone]-A(3OH, 1OMe)-B(1OMe)	Flavone	5,6,8-Trihydroxy-7,4'-dimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Thymusin
0.000	[Flavone]-A(3OH, 1OMe)-B(1OMe)	Flavone	5,6,7-Trihydroxy-8,4'-dimethoxyflavone
0.000	[Dihydrochalcone beta-ol]-A(2OMe, 1([@@]-Methylenedioxy))-B(none)	Dihydrochalcone beta-ol	beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe)	Flavanone	5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe)	Flavanone	2'-Hydroxymatteucinol
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone	Remerin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	Aromadendrin 3-O-acetate
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	5-Methoxypeltogynone
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	5-Methoxymopanone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	7,3',4'-Trihydroxy-3,8-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	7,8,4'-Trihydroxy-3,3'-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	Quercetin 3,3'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	Quercetin 3,4'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	Caryatin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	Quercetin 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH)	Flavonol	6-C-Methylquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH)	Flavonol	8-C-Methylquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OMe)	Flavonol	6-Hydroxykaempferol 3,4'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	6-Methoxykaempferol 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OMe)	Flavonol	5,7,8-Trihydroxy-3,4'-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	3,7-Dimethylherbacetin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	Herbacetin 3,8-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(3OH, 1OMe)-B(none)	Flavonol	5,7,8-Trihydroxy-3,6-dimethoxyflavone
0.000	[Flavan 3-ol]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavan 3-ol	3',4'-Methylenedioxy catechin 5,7-dimethyl ether
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol	Dryopterin
0.000	[CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan	8-Hydroxy-5,5-dimethylpeltogynan
0.000	[Flavan 4-ol (4-OMe)]-A(2OH, 2Methyl)-B(1OMe)	Flavan 4-ol	5,7-Dihydroxy-4,4'-dimethoxy-6,8-dimethylflavan
0.000	[Pterocarpan]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	Trifolian
0.000	[Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Hildecarpin
0.000	[Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Tephrocarpin
0.000	[12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(1OH)	12a-Hydroxyrotenone	4,11,12a-Trihydroxy-9-methoxyrotenone
0.000	[4-phenylcoumarin]-A(1OH, 2OMe)-B(2OH)	4-phenylcoumarin	8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	45.40	534.27019	5.0058	0.74	[M+ACN-2(H2O)+H]+	(7 names) Parvifoliside; Taxuyunnanine N; (-)-Taxuyunnanine N; Taxuyunnanine Q; Tinosinenside; (-)-Tinosinenside; Coccinin	ALL 5 KN 5				2
3400	45.35	529.26440	0.0000	2.25	[M+H]+	(7 names) Parvifoliside; Taxuyunnanine N; (-)-Taxuyunnanine N; Taxuyunnanine Q; Tinosinenside; (-)-Tinosinenside; Coccinin	ALL 5 KN 5	MS2 MS3 x 2		0.150	10
	45.37	511.25376	-18.0106	2.58	[M-H2O+H]+	(7 names) Parvifoliside; Taxuyunnanine N; (-)-Taxuyunnanine N; Taxuyunnanine Q; Tinosinenside; (-)-Tinosinenside; Coccinin	ALL 5 KN 5	MS2 MS3 x 2		0.167	11
	45.36	493.24342	-36.0210	1.84	[M-2(H2O)+H]+	(7 names) Parvifoliside; Taxuyunnanine N; (-)-Taxuyunnanine N; Taxuyunnanine Q; Tinosinenside; (-)-Tinosinenside; Coccinin	ALL 5 KN 5	MS2 MS3 x 2	0.043	0.150	4
	45.35	475.23299	-54.0314	0.63	[M-3(H2O)+H]+	(7 names) Parvifoliside; Taxuyunnanine N; (-)-Taxuyunnanine N; Taxuyunnanine Q; Tinosinenside; (-)-Tinosinenside; Coccinin	ALL 5 KN 5				2

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MSnスペクトル情報

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